N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide

C22H40N4O3 — CID 45233623

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCN2CCCCO2)CC1
InChIInChI=1S/C22H40N4O3/c1-2-24-12-5-6-20(24)18-23-21(27)8-7-19-9-14-25(15-10-19)22(28)11-16-26-13-3-4-17-29-26/h19-20H,2-18H2,1H3,(H,23,27)
InChIKeyTWKYWSMDUUBHKL-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.02
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 45233623) has the molecular formula C22H40N4O3 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID45233623
Molecular FormulaC22H40N4O3
Molecular Weight408.59 g/mol
Exact Mass408.31
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCN2CCCCO2)CC1
InChIInChI=1S/C22H40N4O3/c1-2-24-12-5-6-20(24)18-23-21(27)8-7-19-9-14-25(15-10-19)22(28)11-16-26-13-3-4-17-29-26/h19-20H,2-18H2,1H3,(H,23,27)
InChIKeyTWKYWSMDUUBHKL-UHFFFAOYSA-N
XLogP2.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide (CID 45233623) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCN2CCCCO2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is TWKYWSMDUUBHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O3/c1-2-24-12-5-6-20(24)18-23-21(27)8-7-19-9-14-25(15-10-19)22(28)11-16-26-13-3-4-17-29-26/h19-20H,2-18H2,1H3,(H,23,27).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 408.59 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45233623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).